Pb GTH-PBE-q4
    2    2
     0.61750000    1     4.67238428
    3
     0.62235881    3     0.87991768     2.08114784    -1.43125710
                                       -5.01469016     3.69548994
                                                      -2.93320421
     0.81200202    2     0.15345679     0.47889785
                                       -0.56663958
     1.02501525    1     0.30170206
